CID 15287071

3-bromo-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1CC2=C(C=NN2C1)Br
InChI
InChI=1S/C6H7BrN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2
InChIKey
ASLSBGAOXZIHHP-UHFFFAOYSA-N
Compound name
3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

185.97926 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.986536 133.5
[M+Na]+ 208.968478 147.0
[M-H]- 184.971984 138.7
[M+NH4]+ 204.013083 159.0
[M+K]+ 224.942418 137.4
[M+H-H2O]+ 168.976520 133.7
[M+HCOO]- 230.977461 154.4
[M+CH3COO]- 244.993111 149.7
[M+Na-2H]- 206.953926 140.4
[M]+ 185.97871142 151.4
[M]- 185.97980858 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe